UCSF

ZINC36118649

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 Yes

Popular Name: N-(3-chloro-4-methoxy-phenyl)-4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]benzamid N-(3-chloro-4-methoxy-phenyl)-4-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.14 3.32 -45.82 3 7 1 94 440.907 5 ↓
Hi High (pH 8-9.5) 3.73 5.69 -17.61 2 7 0 91 439.899 6 ↓
Mid Mid (pH 6-8) 0.14 4.95 -114.91 4 7 2 96 441.915 5 ↓
Mid Mid (pH 6-8) 0.14 4.11 -29.36 2 7 0 97 439.899 5 ↓
Mid Mid (pH 6-8) 0.14 4.68 -26.65 2 7 0 97 439.899 5 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.